4-[2-(4-heptylphenyl)pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-heptylphenyl)pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-heptylphenyl)pyrimidin-5-yl]benzonitrile CAS Name: 4-[2-(4-heptylphenyl)-5-pyrimidinyl]benzonitrile IUPAC Name: 4-[2-(4-heptylphenyl)pyrimidin-5-yl]benzonitrile Traditional Name: 4-[2-(4-heptylphenyl)pyrimidin-5-yl]benzonitrile Formula: C24H25N3 MolecularWeight: 355.4754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H25N3/c1-2-3-4-5-6-7-19-8-14-22(15-9-19)24-26-17-23(18-27-24)21-12-10-20(16-25)11-13-21/h8-15,17-18H,2-7H2,1H3